B67NPQ
-OEChem-04022103302D
52 55 0 1 0 0 0 0 0999 V2000
6.1279 -0.6092 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 0.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 -2.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1279 -2.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1279 -0.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1279 1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 2.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 1.1229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 0.3182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 -1.4752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6279 -1.4752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.1279 -0.6092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1279 -0.6092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6279 0.2569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1279 -0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1279 1.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 0.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 0.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 1.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 -0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0079 -1.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 -2.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4379 -1.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8179 -0.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3179 0.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2356 1.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5453 1.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 0.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4379 -2.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7479 -2.3412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4379 -1.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 -2.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7105 1.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0202 1.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3179 -2.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4379 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.3129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 2.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 14 1 0 0 0 0
2 15 1 0 0 0 0
11 3 1 1 0 0 0
3 39 1 0 0 0 0
12 4 1 6 0 0 0
4 40 1 0 0 0 0
13 5 1 1 0 0 0
5 41 1 0 0 0 0
6 17 1 0 0 0 0
6 46 1 0 0 0 0
7 24 2 0 0 0 0
8 10 1 0 0 0 0
8 21 1 0 0 0 0
8 24 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 25 2 0 0 0 0
11 12 1 0 0 0 0
11 14 1 0 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
12 32 1 0 0 0 0
13 15 1 0 0 0 0
13 33 1 0 0 0 0
14 16 1 6 0 0 0
14 34 1 0 0 0 0
15 17 1 6 0 0 0
15 35 1 0 0 0 0
16 18 2 0 0 0 0
16 19 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
18 20 1 0 0 0 0
18 38 1 0 0 0 0
19 22 2 0 0 0 0
19 42 1 0 0 0 0
20 21 1 0 0 0 0
20 23 2 0 0 0 0
21 43 1 0 0 0 0
21 44 1 0 0 0 0
22 23 1 0 0 0 0
22 45 1 0 0 0 0
25 27 1 0 0 0 0
26 28 2 0 0 0 0
26 47 1 0 0 0 0
27 29 2 0 0 0 0
27 48 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
29 49 1 0 0 0 0
30 50 1 0 0 0 0
30 51 1 0 0 0 0
30 52 1 0 0 0 0
M END
$$$$